==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 01-AUG-11 3T8T . COMPND 2 MOLECULE: STAPHYLOCOCCUS AUREUS CYMR (OXIDIZED FORM); . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.HE,Q.JI . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 0 1 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 191 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 59.2 39.6 -4.6 2.2 2 2 A K - 0 0 163 1,-0.0 2,-1.2 3,-0.0 0, 0.0 0.901 360.0 -78.0 168.8 169.1 36.6 -4.8 2.0 3 3 A I - 0 0 108 4,-0.0 5,-0.1 3,-0.0 -1,-0.0 -0.695 49.8-137.9 -88.2 101.5 33.0 -4.3 2.7 4 4 A S > - 0 0 16 -2,-1.2 4,-2.1 1,-0.1 5,-0.1 -0.279 9.9-133.4 -53.7 136.9 32.3 -6.8 5.4 5 5 A T H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.872 105.6 54.7 -59.5 -40.5 29.0 -8.6 4.7 6 6 A K H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 108.0 50.1 -57.9 -46.3 27.8 -8.1 8.3 7 7 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 109.7 50.3 -58.5 -46.7 28.5 -4.3 8.0 8 8 A R H X S+ 0 0 147 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.948 115.0 41.3 -59.5 -52.4 26.5 -4.0 4.7 9 9 A Y H X S+ 0 0 80 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.851 113.2 54.5 -67.2 -34.0 23.5 -5.8 6.0 10 10 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.904 107.7 50.6 -62.8 -41.6 23.6 -4.0 9.3 11 11 A L H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.911 109.7 50.3 -61.6 -45.5 23.7 -0.7 7.5 12 12 A T H X S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 108.6 52.0 -58.3 -47.2 20.6 -1.8 5.5 13 13 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.946 111.1 48.3 -50.8 -49.8 18.8 -2.8 8.7 14 14 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.851 108.6 52.6 -64.9 -35.4 19.6 0.7 10.2 15 15 A I H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.915 108.7 50.9 -67.5 -42.1 18.4 2.5 7.1 16 16 A S H < S+ 0 0 26 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.923 112.8 45.4 -58.5 -46.5 15.1 0.7 7.2 17 17 A L H >< S+ 0 0 3 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.854 109.9 55.9 -65.5 -34.2 14.6 1.6 10.9 18 18 A A H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.863 99.5 58.7 -67.7 -36.5 15.6 5.2 10.1 19 19 A K T 3< S+ 0 0 121 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.629 113.7 40.8 -66.0 -11.7 12.9 5.5 7.5 20 20 A K T < S+ 0 0 65 -3,-1.0 4,-0.4 -4,-0.3 3,-0.4 0.438 79.0 150.3-113.5 -4.4 10.5 4.7 10.3 21 21 A E S < S+ 0 0 87 -3,-0.9 -3,-0.1 -4,-0.5 4,-0.1 0.060 77.3 6.2 -37.9 133.3 12.0 6.7 13.2 22 22 A G S S+ 0 0 85 45,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.922 112.2 88.9 53.9 50.3 9.1 7.7 15.6 23 23 A Q S S- 0 0 134 -3,-0.4 2,-0.3 1,-0.4 -2,-0.2 0.429 95.2 -85.2-142.7 -22.2 6.5 5.7 13.7 24 24 A G - 0 0 33 -4,-0.4 -1,-0.4 2,-0.0 2,-0.1 -0.861 59.4 -40.1 136.6-171.4 6.6 2.2 15.3 25 25 A X - 0 0 56 -2,-0.3 2,-0.4 41,-0.1 41,-0.2 -0.452 34.6-146.8 -91.4 159.5 8.5 -1.1 15.0 26 26 A I E -A 65 0A 27 39,-2.2 39,-2.6 -2,-0.1 2,-0.2 -0.987 27.2-121.6-117.4 134.9 9.7 -3.1 12.1 27 27 A S E > -A 64 0A 38 -2,-0.4 4,-2.0 37,-0.2 37,-0.3 -0.489 7.0-134.5 -76.4 144.5 9.8 -6.8 12.4 28 28 A L H > S+ 0 0 9 35,-2.9 4,-3.0 1,-0.2 5,-0.3 0.879 109.7 60.4 -57.7 -38.2 13.0 -8.7 12.0 29 29 A K H > S+ 0 0 126 34,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.906 104.9 45.8 -58.3 -44.3 10.9 -11.0 9.9 30 30 A S H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.918 114.6 47.1 -67.8 -42.7 10.1 -8.3 7.4 31 31 A I H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.921 112.6 49.1 -63.9 -44.6 13.7 -7.0 7.2 32 32 A A H <>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 4,-0.4 0.942 115.1 45.1 -58.8 -47.9 15.1 -10.4 6.7 33 33 A E H ><5S+ 0 0 149 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.947 110.8 52.8 -60.4 -52.0 12.6 -11.1 4.0 34 34 A E H 3<5S+ 0 0 134 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 118.3 37.7 -51.9 -33.5 13.1 -7.8 2.3 35 35 A N T 3<5S- 0 0 41 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.234 108.3-113.4-111.9 13.3 16.8 -8.4 2.2 36 36 A N T < 5S+ 0 0 156 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.917 73.5 125.9 56.2 49.5 17.1 -12.1 1.4 37 37 A L < - 0 0 29 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.2 -0.935 64.6-105.7-129.9 154.5 18.7 -13.0 4.7 38 38 A S > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.561 26.2-124.8 -73.2 145.5 17.8 -15.6 7.4 39 39 A D H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.836 114.8 59.5 -52.8 -33.5 16.2 -14.1 10.6 40 40 A L H > S+ 0 0 135 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.904 104.8 45.6 -66.2 -42.9 19.1 -16.0 12.3 41 41 A Y H >> S+ 0 0 58 -3,-0.2 3,-0.9 1,-0.2 4,-0.7 0.934 111.5 53.0 -64.7 -42.7 21.7 -14.0 10.4 42 42 A L H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 3,-1.5 0.893 101.1 61.9 -59.0 -38.7 19.8 -10.8 11.1 43 43 A E H 3X S+ 0 0 78 -4,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.825 98.0 56.4 -56.9 -34.6 19.9 -11.7 14.8 44 44 A Q H << S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.690 109.9 45.2 -71.5 -20.7 23.7 -11.6 14.8 45 45 A L H S+ 0 0 44 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 116.0 52.7 -65.9 -35.8 25.8 -5.6 18.6 49 49 A L H <>S+ 0 0 0 -4,-1.4 5,-2.0 2,-0.2 6,-0.9 0.885 112.2 45.5 -65.5 -39.4 23.6 -2.7 17.5 50 50 A R H ><5S+ 0 0 94 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.923 111.6 52.0 -68.8 -43.7 21.4 -3.3 20.6 51 51 A N H 3<5S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.790 107.0 53.4 -63.2 -29.1 24.4 -3.6 22.9 52 52 A A T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.505 116.1-117.3 -82.9 -7.1 25.7 -0.3 21.5 53 53 A G T < 5S+ 0 0 14 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.558 82.2 117.8 83.9 11.1 22.4 1.4 22.4 54 54 A L S - 0 0 46 6,-2.2 3,-1.8 -2,-0.1 6,-0.4 -0.906 34.9-106.1-101.6 128.3 9.7 -3.4 21.2 59 59 A R T 3 S+ 0 0 238 -2,-0.5 -1,-0.0 1,-0.2 0, 0.0 -0.215 97.2 5.9 -58.6 136.9 8.0 -5.3 24.0 60 60 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.405 94.4 111.9 78.2 -1.4 5.6 -8.1 23.0 61 61 A A S < S- 0 0 38 -3,-1.8 -2,-0.1 3,-0.2 -1,-0.1 0.440 77.2-131.8 -87.6 1.0 6.4 -7.8 19.3 62 62 A K S S- 0 0 214 -4,-0.2 -3,-0.1 1,-0.1 -34,-0.0 0.834 90.8 -7.2 53.6 36.2 8.2 -11.2 19.1 63 63 A G S S+ 0 0 27 -5,-0.4 -35,-2.9 1,-0.2 -34,-0.4 0.781 93.9 144.6 111.3 51.7 11.1 -9.6 17.3 64 64 A G E -A 27 0A 1 -6,-0.4 -6,-2.2 -37,-0.3 2,-0.3 -0.934 24.9-167.5-118.2 144.5 10.2 -6.0 16.5 65 65 A Y E +AB 26 57A 11 -39,-2.6 -39,-2.2 -2,-0.4 2,-0.3 -0.888 14.2 178.2-134.7 159.6 12.7 -3.1 16.5 66 66 A Q E - B 0 56A 52 -10,-1.8 -10,-2.3 -2,-0.3 2,-0.1 -0.970 43.3 -85.2-149.9 157.5 13.1 0.6 16.4 67 67 A L E - B 0 55A 16 -50,-0.4 -12,-0.3 -2,-0.3 -45,-0.2 -0.443 29.9-169.3 -57.9 138.8 15.9 3.2 16.6 68 68 A R S S+ 0 0 144 -14,-2.9 -13,-0.2 1,-0.2 -1,-0.1 0.652 77.4 41.2-100.3 -27.3 16.8 4.0 20.1 69 69 A V S S- 0 0 29 -15,-1.4 -1,-0.2 1,-0.0 5,-0.1 -0.918 102.3 -94.7-119.2 145.8 19.0 7.0 19.1 70 70 A P > - 0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.299 29.2-122.5 -64.4 145.4 18.0 9.5 16.4 71 71 A A G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 46,-1.0 0.811 108.5 64.7 -58.8 -33.1 19.4 8.8 12.9 72 72 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 44,-0.2 43,-0.0 0.612 99.6 54.3 -67.0 -10.1 21.1 12.2 12.8 73 73 A E G < S+ 0 0 129 -3,-2.2 2,-0.4 42,-0.0 -1,-0.3 0.405 98.1 75.7-101.1 0.3 23.4 11.1 15.6 74 74 A I < - 0 0 2 -3,-1.6 42,-3.0 -4,-0.2 43,-0.4 -0.949 63.1-157.0-121.0 133.0 24.6 8.0 13.9 75 75 A S B > -C 115 0B 9 -2,-0.4 4,-1.8 40,-0.3 40,-0.2 -0.689 29.8-119.9-103.2 158.1 27.2 7.6 11.1 76 76 A A H > S+ 0 0 4 38,-2.6 4,-2.7 35,-0.7 5,-0.2 0.897 118.1 57.0 -59.3 -37.3 27.6 4.8 8.6 77 77 A G H > S+ 0 0 1 34,-1.9 4,-2.6 37,-0.3 -1,-0.2 0.887 101.7 54.1 -60.6 -41.5 31.1 4.5 10.0 78 78 A D H > S+ 0 0 63 33,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.941 111.6 46.0 -55.2 -49.4 29.7 4.0 13.5 79 79 A I H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 5,-0.2 0.926 113.0 47.5 -64.1 -47.8 27.5 1.1 12.2 80 80 A I H X>S+ 0 0 15 -4,-2.7 4,-3.6 1,-0.2 5,-0.9 0.928 110.3 53.1 -61.1 -45.1 30.3 -0.6 10.2 81 81 A R H X5S+ 0 0 101 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.897 107.4 51.6 -56.4 -42.7 32.7 -0.4 13.1 82 82 A L H <5S+ 0 0 74 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.838 121.4 31.6 -65.5 -33.5 30.3 -2.1 15.5 83 83 A L H <5S+ 0 0 11 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.825 135.5 22.0 -96.9 -34.6 29.7 -5.0 13.1 84 84 A E H <5 0 0 91 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.764 360.0 360.0-104.3 -35.6 33.0 -5.4 11.3 85 85 A G << 0 0 73 -5,-0.9 -1,-0.2 -4,-0.8 -3,-0.1 -0.410 360.0 360.0 133.3 360.0 35.5 -3.7 13.6 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 91 A E 0 0 202 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 47.0 -6.5 5.4 88 92 A S - 0 0 81 1,-0.0 2,-0.5 2,-0.0 9,-0.0 -0.358 360.0-169.7 -72.7 136.7 50.7 -5.8 6.0 89 93 A I > - 0 0 89 1,-0.1 3,-1.9 -2,-0.1 8,-0.1 -0.964 15.7-149.6-123.0 109.2 53.4 -6.9 3.5 90 94 A E T 3 S+ 0 0 150 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.830 89.9 55.2 -51.9 -45.4 56.8 -6.4 5.2 91 95 A S T 3 S+ 0 0 111 2,-0.0 -1,-0.3 3,-0.0 0, 0.0 0.636 79.7 120.0 -67.3 -13.1 58.9 -5.6 2.1 92 96 A E S < S- 0 0 26 -3,-1.9 5,-0.0 1,-0.1 -3,-0.0 -0.246 72.4-110.2 -55.4 132.0 56.6 -2.8 1.0 93 97 A P >> - 0 0 68 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.333 25.3-115.5 -58.4 144.6 58.3 0.6 0.8 94 98 A P H 3> S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.844 116.3 57.5 -50.5 -37.9 57.3 3.1 3.5 95 99 A A H 3> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.877 108.5 45.6 -61.5 -37.9 55.8 5.4 0.8 96 100 A Q H <> S+ 0 0 74 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.913 109.9 52.8 -74.7 -43.8 53.5 2.6 -0.4 97 101 A K H X S+ 0 0 58 -4,-2.4 4,-1.5 1,-0.2 3,-0.2 0.936 110.7 49.2 -53.0 -46.9 52.5 1.6 3.1 98 102 A Q H X S+ 0 0 100 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.833 103.8 59.8 -64.4 -32.7 51.6 5.3 3.7 99 103 A L H X S+ 0 0 62 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.920 104.7 49.5 -58.8 -42.8 49.6 5.4 0.5 100 104 A W H X S+ 0 0 103 -4,-1.8 4,-2.6 -3,-0.2 -1,-0.2 0.856 109.4 52.2 -65.7 -35.7 47.4 2.6 1.8 101 105 A I H X S+ 0 0 54 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.913 108.1 51.5 -64.3 -43.0 46.9 4.6 5.0 102 106 A R H X S+ 0 0 153 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.887 112.0 46.1 -61.3 -41.2 45.9 7.7 2.9 103 107 A M H X S+ 0 0 96 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 111.5 51.9 -67.2 -46.1 43.3 5.6 1.0 104 108 A R H X S+ 0 0 123 -4,-2.6 4,-2.7 1,-0.2 3,-0.2 0.941 110.4 48.7 -53.0 -51.7 42.0 4.1 4.3 105 109 A D H X S+ 0 0 53 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.828 107.4 55.0 -58.7 -37.6 41.6 7.5 5.8 106 110 A A H X S+ 0 0 58 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.886 110.8 45.7 -63.9 -39.0 39.8 8.8 2.7 107 111 A V H X S+ 0 0 87 -4,-1.9 4,-2.6 -3,-0.2 -2,-0.2 0.921 111.4 51.9 -67.7 -45.5 37.3 5.9 3.1 108 112 A R H X S+ 0 0 112 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.932 106.7 54.2 -58.2 -47.5 36.9 6.6 6.8 109 113 A D H X S+ 0 0 98 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.913 109.8 46.9 -50.1 -49.5 36.2 10.2 6.1 110 114 A V H < S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.958 117.3 43.7 -58.0 -49.8 33.3 9.3 3.7 111 115 A L H >< S+ 0 0 52 -4,-2.6 -34,-1.9 1,-0.2 3,-1.0 0.894 114.5 47.4 -65.0 -44.0 31.9 6.8 6.2 112 116 A D H 3< S+ 0 0 54 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 112.6 49.7 -73.5 -22.3 32.3 9.0 9.3 113 117 A N T 3< S+ 0 0 116 -4,-1.5 2,-0.6 -5,-0.3 -1,-0.2 0.223 91.2 87.9-105.3 15.9 30.7 12.0 7.7 114 118 A T < - 0 0 32 -3,-1.0 -38,-2.6 -4,-0.1 -37,-0.3 -0.957 67.4-153.7-111.4 113.8 27.7 10.2 6.3 115 119 A T B > -C 75 0B 48 -2,-0.6 4,-1.9 -40,-0.2 -40,-0.3 -0.486 24.3-122.0 -84.1 160.2 24.8 10.1 8.8 116 120 A L H > S+ 0 0 0 -42,-3.0 4,-1.7 -45,-0.9 -44,-0.2 0.814 115.8 57.6 -65.5 -32.1 22.1 7.5 8.9 117 121 A K H > S+ 0 0 53 -46,-1.0 4,-1.4 -43,-0.4 -1,-0.2 0.921 104.0 52.2 -63.6 -42.9 19.6 10.4 8.5 118 122 A Y H >> S+ 0 0 168 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.930 110.3 47.5 -56.9 -48.5 21.3 11.4 5.3 119 123 A L H 3< S+ 0 0 53 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.824 110.0 53.6 -64.8 -31.8 21.1 7.8 3.9 120 124 A A H 3< S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 112.6 42.8 -73.0 -26.3 17.4 7.6 4.9 121 125 A E H << S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.328 77.6 134.5-107.1 4.1 16.5 10.8 3.0 122 126 A Y < - 0 0 177 -4,-0.5 2,-0.5 -3,-0.4 -3,-0.0 -0.316 49.6-139.1 -53.7 135.2 18.5 10.2 -0.2 123 127 A V + 0 0 130 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.893 31.5 159.5-111.2 127.0 16.2 11.0 -3.1 124 128 A D 0 0 119 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.791 360.0 360.0-134.7 172.3 16.2 8.9 -6.2 125 129 A T 0 0 172 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.646 360.0 360.0 -72.0 360.0 13.9 8.1 -9.2